UCSF

ZINC12961473

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 28 Yes

Other Names:

MFCD05256368

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.41 14.13 -11.85 0 2 0 30 359.428 3

Vendor Notes

Note Type Comments Provided By
melting_point 183 - 185 KeyOrganics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )